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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL293787
CHEMBL293787
Compound Name ETHYL PYROPHOSPHATE
ChEMBL Synonyms Ethyl pyrophosphate
Max Phase 0
Trade Names
Molecular Formula C8H20O7P2

Additional synonyms for CHEMBL293787 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOP(=O)(OCC)OP(=O)(OCC)OCC
Standard InChI InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8- ...
Download InChI
Standard InChI Key IDCBOTIENDVCBQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL293787

Molecule Features

CHEMBL293787 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ETHYL PYROPHOSPHATE
The Cochrane Collaboration ETHYL PYROPHOSPHATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL293787. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.980
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.906
CHEMBL3455 Anandamide amidohydrolase Mus musculus 0.846
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.742
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 0.668
CHEMBL1827 Phosphodiesterase 5A Homo sapiens 0.574
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.556
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 0.505
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 0.378
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.317
CHEMBL1782 Farnesyl diphosphate synthase Homo sapiens 0.307
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 0.232
CHEMBL248 Leukocyte elastase Homo sapiens 0.227
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.227
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.204



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5982 ADAM9 Homo sapiens 0.975
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.956
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.486
CHEMBL3455 Anandamide amidohydrolase Mus musculus 0.477
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.464
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 0.428
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 0.421
CHEMBL6135 Neuraminidase Influenza A virus 0.393
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.378
CHEMBL3383 Carboxylesterase Sus scrofa 0.329
CHEMBL2123 Pyrimidinergic receptor P2Y4 Homo sapiens 0.306
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 0.282
CHEMBL1827 Phosphodiesterase 5A Homo sapiens 0.278
CHEMBL4518 Purinergic receptor P2Y14 Homo sapiens 0.265

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
290.2 290.0684 3.37 10 80.29 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.51 1.51 0 17 0.57

Structural Alerts

There are 4 structural alerts for CHEMBL293787. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IDCBOTIENDVCBQ-UHFFFAOYSA-N
PubChem SID: 144211489 SID: 26757696
Wikipedia Tetraethyl_pyrophosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL293787



ACToR 82846-74-0 107-49-3
Brenda 159618 28323 32737
ChEBI 82149
eMolecules 501353
EPA CompTox Dashboard DTXSID3034957
FDA SRS 28QKT80KX2
IBM Patent System ED9806C69C0DA65ABC135896702F4B19
KEGG Ligand C19017
Nikkaji J9.263K
PubChem 7873
PubChem: Thomson Pharma 15047468
SureChEMBL SCHEMBL150611
ZINC ZINC000001653182

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IDCBOTIENDVCBQ-UHFFFAOYSA-N spacer
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